SCHEMBL3435490

SCHEMBL3435490

O=[N+]([O-])c1ccccc1N1CCC(N2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.52
ALDH1A1 P00352 9/20 0.52
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 3/20 0.49
MAPT P10636 13/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MITF O75030 1/20 0.44
CCR6 P51684 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14206650 0.87 HTT (0.52) CTSBALDH1A1KMT2ACYP1A2MEN1
SCHEMBL14335038 0.86 HTT (0.51) CTSBALDH1A1KMT2ACYP1A2HTT
SCHEMBL2206983 0.85 CTSB (0.68) CTSBALDH1A1KMT2ACYP1A2MEN1
SCHEMBL30779614 0.85 CTSB (0.68) CTSBALDH1A1KMT2ACYP1A2MEN1
SCHEMBL10373056 0.84 KMT2A (0.58) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL23536375 0.82 KMT2A (0.59) CTSBALDH1A1KMT2AMEN1HTT
SCHEMBL29932132 0.82 KMT2A (0.59) CTSBALDH1A1KMT2AMEN1HTT
SCHEMBL14377179 0.81 HTT (0.58) CTSBALDH1A1KMT2AMEN1HTT
SCHEMBL23536206 0.81 ALDH1A1 (0.56) CTSBALDH1A1KMT2ACYP1A2MEN1
SCHEMBL29931977 0.81 ALDH1A1 (0.56) CTSBALDH1A1KMT2ACYP1A2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CTSB 2367/4885ALDH1A1 975/4885KMT2A 1707/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.